Estromustine
HIT212677872
sdf文件结构编辑类似物检索
HIT ID: HIT212677872
Cas No: 62899-40-5
分子式: C23H29Cl2NO3
分子量: 438.39
常用名: Estromustine
氢键受体数 (HBA): 2
氢键供体数 (HBD): 0
LogP: 5.6626415
IUPAC: (3aS,3bR,9bS,11aS)-11a-methyl-1-oxo-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl N,N-bis(2-chloroethyl)carbamate
IUPAC: (3aS,3bR,9bS,11aS)-11a-methyl-1-oxo-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl N,N-bis(2-chloroethyl)carbamate
SMILES: [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(OC(=O)N(CCCl)CCCl)cc3CC[C@@]21[H]
SMILES: [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(OC(=O)N(CCCl)CCCl)cc3CC[C@@]21[H]
InChI key: AXWYROHIFVWHMR-UGTOYMOASA-N
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